N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide

C26H32N4O3 — CID 50844521

IUPACN-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide
SMILESCc1cccc(NC(=O)c2cccc(N3CC(C(=O)N4CCN(C(C)C)CC4)CC3=O)c2)c1
InChIInChI=1S/C26H32N4O3/c1-18(2)28-10-12-29(13-11-28)26(33)21-16-24(31)30(17-21)23-9-5-7-20(15-23)25(32)27-22-8-4-6-19(3)14-22/h4-9,14-15,18,21H,10-13,16-17H2,1-3H3,(H,27,32)
InChIKeyIMZAANGYKNZRQK-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.15
Rot. Bonds5

About N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide

N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide (PubChem CID 50844521) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide
PubChem CID50844521
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide
SMILESCc1cccc(NC(=O)c2cccc(N3CC(C(=O)N4CCN(C(C)C)CC4)CC3=O)c2)c1
InChIInChI=1S/C26H32N4O3/c1-18(2)28-10-12-29(13-11-28)26(33)21-16-24(31)30(17-21)23-9-5-7-20(15-23)25(32)27-22-8-4-6-19(3)14-22/h4-9,14-15,18,21H,10-13,16-17H2,1-3H3,(H,27,32)
InChIKeyIMZAANGYKNZRQK-UHFFFAOYSA-N
XLogP3.15
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4R)-4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]-N-(4-methylphenyl)benzamide
CID 95058184
(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058207
N-(2,3-dimethylphenyl)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844748
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92900169
(3R)-N-(4-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058194
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
1-(3-chlorophenyl)-4-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 55575327
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844327
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058167
1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide?
The IUPAC name of N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide (CID 50844521) is N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide is Cc1cccc(NC(=O)c2cccc(N3CC(C(=O)N4CCN(C(C)C)CC4)CC3=O)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide?
The InChIKey is IMZAANGYKNZRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(2)28-10-12-29(13-11-28)26(33)21-16-24(31)30(17-21)23-9-5-7-20(15-23)25(32)27-22-8-4-6-19(3)14-22/h4-9,14-15,18,21H,10-13,16-17H2,1-3H3,(H,27,32).
What are the key properties of N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide?
N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[2-oxo-4-(4-propan-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 50844521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).